CID 59269055

C9H16O2 — CID 59269055

IUPAC—
SMILES[CH]CC1COC(C)(CC)OC1
InChIInChI=1S/C9H16O2/c1-4-8-6-10-9(3,5-2)11-7-8/h1,8H,4-7H2,2-3H3
InChIKeySLQOOKHITPQOEP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.88
Rot. Bonds2

About CID 59269055

CID 59269055 (PubChem CID 59269055) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol.

Molecular Properties

Compound NameCID 59269055
PubChem CID59269055
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name—
SMILES[CH]CC1COC(C)(CC)OC1
InChIInChI=1S/C9H16O2/c1-4-8-6-10-9(3,5-2)11-7-8/h1,8H,4-7H2,2-3H3
InChIKeySLQOOKHITPQOEP-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59269055?
The IUPAC name of CID 59269055 (CID 59269055) is not available.
What is the SMILES notation for CID 59269055?
The canonical SMILES for CID 59269055 is [CH]CC1COC(C)(CC)OC1.
What is the InChIKey of CID 59269055?
The InChIKey is SLQOOKHITPQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-6-10-9(3,5-2)11-7-8/h1,8H,4-7H2,2-3H3.
What are the key properties of CID 59269055?
CID 59269055 has a molecular weight of 156.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269055 is sourced from PubChem (CID 59269055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).